SCHEMBL4631096

SCHEMBL4631096

O=C(O)OCC1CCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
SLC1A3 P43003 4/20 0.47
SLC1A2 P43004 4/20 0.47
SLC1A1 P43005 4/20 0.47
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
CYP2D6 P10635 1/20 0.38
EPHX1 P07099 3/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1864716 1.00 LMNA (0.62) LMNASLC1A3SLC1A2SLC1A1PARP15
Hydrochloric Acid SCHEMBL11848398 0.98 LMNA (0.60) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL4463734 0.98 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL8393529 0.93
SCHEMBL1444507 0.87
SCHEMBL1669840 0.83 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL276585 0.82 LMNA (0.46) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL23129641 0.81 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL8393247 0.81 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL8394920 0.81 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1PARP15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698684-B1 Alkyl cycloheptylmethyl carbonates and perfume compositions KAO CORP (JP) 2008-05-14 EP claimed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed